4A4F

Solution structure of SPF30 Tudor domain in complex with symmetrically dimethylated arginine


SOLUTION NMR
NMR Experiment
ExperimentTypeSample ContentsSolventIonic StrengthpHPressureTemperature (K)Spectrometer
115N-EDITED 3D NOESY93% WATER/7% D2O50 mM6.51.0 atm298.0
2F1 15N/13C FILTERED93% WATER/7% D2O50 mM6.51.0 atm298.0
315N- EDITED 3D NOESY93% WATER/7% D2O50 mM6.51.0 atm298.0
413C- EDITED 3D NOESY (ALIPHATICS)93% WATER/7% D2O50 mM6.51.0 atm298.0
5F1 15N/13C FILTERED93% WATER/7% D2O50 mM6.51.0 atm298.0
613C-EDITED 3D NOESY (ALIPHATICS)93% WATER/7% D2O50 mM6.51.0 atm298.0
713C- EDITED 3D NOESY (AROMATICS)93% WATER/7% D2O50 mM6.51.0 atm298.0
8F1 15N/13C FILTERED93% WATER/7% D2O50 mM6.51.0 atm298.0
913C-EDITED 3D NOESY (AROMATICS)93% WATER/7% D2O50 mM6.51.0 atm298.0
NMR Spectrometer Information
SpectrometerManufacturerModelField Strength
1BrukerAVANCE750
NMR Refinement
MethodDetailsSoftware
simulated annealingTHE SET OF NOE DISTANCE RESTRAINTS DERIVED FROM CYANA, TOGETHER WITH PHI AND PSI BACKBONE DIHEDRAL ANGLE RESTRAINTS DERIVED FROM TALOS BASED ON THE CHEMICAL SHIFTS WERE USED FOR WATER REFINEMENT USING CNS.CNS
NMR Ensemble Information
Conformer Selection CriteriaLOWEST ENERGY
Conformers Calculated Total Number200
Conformers Submitted Total Number20
Representative Model1 (n/a)
Additional NMR Experimental Information
DetailsNONE
Computation: NMR Software
#ClassificationVersionSoftware NameAuthor
1refinementCNSBRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,READ, RICE,SIMONSON,WARREN
2structure solutionTALOS
3structure solutionCYANA
4structure solutionCNS